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  1. Third-Parties
  2. MatprojStructure
  3. mp-568896

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-568896
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['La', 'Al', 'Br']
  • Chemical System: Al-Br-La
  • Density: 3.0628056878990413
  • Atomic Density: 0.025037314917720696
  • Unit Cell Volume: 1917.1384854063153
  • Molar Volume: 24.052662115687575
  • Full Formula: La3 Al9 Br36
  • Reduced Formula: La(AlBr4)3
  • Formula Anonymous: AB3C12
  • Spacegroup Number: 152
  • Spacegroup Symbol: P3_121
  • Crystal System: trigonal
  • Pointgroup: 321

Thermodynamics:

  • Final energy: -192.38788881
  • Final energy per atom: -4.008081016875
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.